Proline-thiohydantoin
TL;DR: Proline-thiohydantoin (CAS 32085-78-2) is a chemical compound with molecular formula C6H8N2OS and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
Also Known As: Proline thiohydantoin, PROLINE-THIOHYDANTOIN, J3.071.531D, 3-Thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one, 3-Thioxohexahydro-1H-pyrrolo[1,2-c]imidazole-1-one
| Molecular Formula | C6H8N2OS |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | -0.1345 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.03574 |
| Heavy Atoms | 10 |
| Complexity | 183.9245 |
Chemical Identifiers
| CAS Number | 32085-78-2 |
|---|---|
| SMILES | C1CC2C(=O)NC(=S)N2C1 |
Product Overview
Proline-thiohydantoin (CAS 32085-78-2), with molecular formula C6H8N2OS and molecular weight 156.04 g/mol. IUPAC: 3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one.
Chemical Property Profile of Proline-thiohydantoin
Property Insights of Proline-thiohydantoin
The XLogP value of -0.1345 indicates that Proline-thiohydantoin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.34 Ų, Proline-thiohydantoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Proline-thiohydantoin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Proline-thiohydantoin?
The CAS number of Proline-thiohydantoin is 32085-78-2.
What is the molecular formula of Proline-thiohydantoin?
The molecular formula of Proline-thiohydantoin is C6H8N2OS.
What is the molecular weight of Proline-thiohydantoin?
The molecular weight of Proline-thiohydantoin is 156.04 g/mol.
Where can I buy Proline-thiohydantoin?
You can request a quote for Proline-thiohydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proline-thiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for Proline-thiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.